SCHEMBL7015690

SCHEMBL7015690

Cc1ccc(C(CN)c2c[nH]c3ccccc23)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.73
KMT2A Q03164 6/20 0.73
ALDH1A1 P00352 2/20 0.73
MAPT P10636 2/20 0.73
TDP1 Q9NUW8 2/20 0.73
L3MBTL1 Q9Y468 2/20 0.73
USP2 O75604 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
MGAM O43451 7/20 0.64
GAA P10253 7/20 0.64
SI P14410 7/20 0.64
MGAM2 Q2M2H8 7/20 0.64
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
HTR2B P41595 1/20 0.59
GPR84 Q9NQS5 3/20 0.58
FFAR1 O14842 2/20 0.55
CYP2D6 P10635 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13253129 0.89 MEN1 (0.74) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL7006159 0.85 NR3C1 (0.69) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL6823826 0.84 MEN1 (0.70) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL27984210 0.82 MGAM (0.79) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL27984212 0.82 MGAM (0.64) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL7011743 0.82 MEN1 (0.64) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL31026318 0.80 MEN1 (0.77) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL7012422 0.80 MEN1 (0.77) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL3493768 0.80 NR3C1 (0.61) MEN1KMT2AMAPTTDP1MGAM
SCHEMBL18662724 0.79 MGAM (1.00) MEN1KMT2AALDH1A1MAPTTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923581-B1 4-SUBSTITUTED BETA-CARBOLINES AS IMMUNOMODULATORS BOEHRINGER INGELHEIM PHARMA (US) 2003-05-21 EP disclosed
US-6093723-A AN IMMUNOMODULATOR FOR TREATING AND PREVENTING IMMUNE DISORDERS, INCLUDING AUTOIMMUNE DISEASE, INFLAMMATORY DISEASE, ORGAN TRANSPLANT REJECTION AND OTHER DISORDERS ASSOCIATED WITH IL-2 MEDIATED IMMUNE RESPONSE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-07-25 US disclosed